CID 11250334

Dkb-ghb

Structural Information

Molecular Formula
C23H46N8O10
SMILES
C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN=C(N)N)O)N)N
InChI
InChI=1S/C23H46N8O10/c24-6-8-1-2-9(25)21(38-8)40-18-10(26)5-11(31-20(37)12(33)3-4-30-23(28)29)19(17(18)36)41-22-16(35)14(27)15(34)13(7-32)39-22/h8-19,21-22,32-36H,1-7,24-27H2,(H,31,37)(H4,28,29,30)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1
InChIKey
YEJCEAUPLVXFSL-XTCKQBCOSA-N
Compound name
(2S)-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-4-(diaminomethylideneamino)-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.3337 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.34098 235.3
[M+Na]+ 617.32292 232.5
[M-H]- 593.32642 228.9
[M+NH4]+ 612.36752 235.2
[M+K]+ 633.29686 241.3
[M+H-H2O]+ 577.33096 223.1
[M+HCOO]- 639.33190 236.6
[M+CH3COO]- 653.34755 240.4
[M+Na-2H]- 615.30837 274.1
[M]+ 594.33315 250.0
[M]- 594.33425 250.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.